3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide

C16H25NO2 — CID 115139516

IUPAC3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
SMILESCc1cc(C)c(C(C)(C)CNC(=O)CCO)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-8-12(2)15(13(3)9-11)16(4,5)10-17-14(19)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyVONZVSSKULDYNA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.39
Rot. Bonds5

About 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide

3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide (PubChem CID 115139516) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
PubChem CID115139516
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
SMILESCc1cc(C)c(C(C)(C)CNC(=O)CCO)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-8-12(2)15(13(3)9-11)16(4,5)10-17-14(19)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyVONZVSSKULDYNA-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
2-(methylamino)-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]acetamide
CID 115152174
N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
N-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]carbamoyl chloride
CID 115195188
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
CID 115169613
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 115139502
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide?
The IUPAC name of 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide (CID 115139516) is 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide is Cc1cc(C)c(C(C)(C)CNC(=O)CCO)c(C)c1.
What is the InChIKey of 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide?
The InChIKey is VONZVSSKULDYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-12(2)15(13(3)9-11)16(4,5)10-17-14(19)6-7-18/h8-9,18H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide?
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide is sourced from PubChem (CID 115139516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).